Pm(GaRe)2
Alexandria ALEXAlex-ID: agm014308699 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_186_spg74
PmGa2 Re
2024-10-15 22:03:48.885025
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014308699).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm014308699
data_agm014308699
_cell_length_a 11.34041
_cell_length_b 11.34041
_cell_length_c 11.34041
_cell_angle_alpha 158.57690
_cell_angle_beta 158.34114
_cell_angle_gamma 30.64899
_cell_volume 196.47830
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pm1 Pm 0.65334 0.90334 0.75000 1.00000
Pm2 Pm 0.34666 0.09666 0.25000 1.00000
Ga1 Ga 0.77620 0.52620 0.25000 1.00000
Ga2 Ga 0.22380 0.47380 0.75000 1.00000
Ga3 Ga 0.10838 0.35838 0.75000 1.00000
Ga4 Ga 0.89162 0.64162 0.25000 1.00000
Re1 Re 0.96617 0.21617 0.75000 1.00000
Re2 Re 0.53318 0.28318 0.25000 1.00000
Re3 Re 0.03383 0.78383 0.25000 1.00000
Re4 Re 0.46682 0.71682 0.75000 1.00000
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